Simultaneous quantitative structure-activity relationship analysis of catalyst activity and selectivity in the direct oxidation of C―H bonds

Mathematics

• Quantitative Structure-activity Relationship 100%
• Oxidation 97%
• Selectivity 94%
• Catalyst 88%
• Particle Swarm Optimization Algorithm 27%
• Reaction Mechanism 26%
• Density Functional Theory 24%
• Descriptors 19%
• Charge 17%
• Linear regression 16%
• Influence 13%
• Design 10%
• Series 10%
• Relationships 10%
• Subset 9%
• Model 5%

Engineering & Materials Science

• Catalyst selectivity 98%
• Catalyst activity 84%
• Oxidation 59%
• Catalysts 57%
• Organometallics 34%
• Density functional theory 33%
• Molecular structure 29%
• Linear regression 22%
• Particle swarm optimization (PSO) 18%

Chemical Compounds

• Catalyst Activity 73%
• QSAR Study 70%
• Oxidation Reaction 30%
• Catalyst 28%
• Metalloporphyrin 26%
• Steric Effect 22%
• Metallocene 20%
• Molecular Structure 15%
• Green 15%
• Chemical Transformation 14%
• Density Functional Theory 14%
• Modification 12%